(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide

C18H26N2O3 — CID 95382682

IUPAC(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CCCOCCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c19-18(22)16-8-4-11-20(14-16)17(21)9-5-12-23-13-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,22)/t16-/m0/s1
InChIKeyVCAYBQWZEABFND-INIZCTEOSA-N
MW318.42 g/mol
LogP1.75
Rot. Bonds8

About (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide

(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide (PubChem CID 95382682) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
PubChem CID95382682
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CCCOCCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c19-18(22)16-8-4-11-20(14-16)17(21)9-5-12-23-13-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,22)/t16-/m0/s1
InChIKeyVCAYBQWZEABFND-INIZCTEOSA-N
XLogP1.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-(3-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 119577753
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 120748525
1-[(2R)-2-benzylazetidin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 95787920
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 119435548
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[(3S,5R)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 97023983

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide (CID 95382682) is (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CCCOCCc2ccccc2)C1.
What is the InChIKey of (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide?
The InChIKey is VCAYBQWZEABFND-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-18(22)16-8-4-11-20(14-16)17(21)9-5-12-23-13-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,22)/t16-/m0/s1.
What are the key properties of (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide?
(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95382682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).